CID 225529

Bis(4-pyridyl)amine

Structural Information

Molecular Formula

C₁₀H₉N₃

SMILES

C1=CN=CC=C1NC2=CC=NC=C2

InChI

InChI=1S/C10H9N3/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H,(H,11,12,13)

InChIKey

KDWIKPVYQSPYIX-UHFFFAOYSA-N

Compound name

N-pyridin-4-ylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 118
Patents: 171.07965 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.086926	133.9
[M+Na]+	194.068868	141.5
[M-H]-	170.072374	137.8
[M+NH4]+	189.113473	150.8
[M+K]+	210.042808	137.9
[M+H-H2O]+	154.076910	125.2
[M+HCOO]-	216.077851	158.0
[M+CH3COO]-	230.093501	146.9
[M+Na-2H]-	192.054316	144.9
[M]+	171.07910142	131.9
[M]-	171.08019858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe